SCHEMBL28801443

SCHEMBL28801443

CCc1cc(N)ccc1-c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PNMT P11086 1/20 0.50
ACHE P22303 2/20 0.41
PARP1 P09874 2/20 0.39
HTR7 P34969 2/20 0.39
HTR2B P41595 2/20 0.39
RXRA P19793 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PGR P06401 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1482536 0.82 PNMT (0.61) RAB9ANPC1ALDH1A1PNMTHTR7
SCHEMBL27781926 0.80 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL20640487 0.80 PNMT (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL20640668 0.79 PNMT (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14174171 0.77 RAB9A (0.81) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL30606684 0.77 PNMT (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL633763 0.77 PNMT (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL27840995 0.77 NPC1 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL27821704 0.77 NPC1 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL27841136 0.77 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102741352-A Metal-resin composite MITSUI CHEMICALS INC 2012-10-17 CN disclosed